https://github.com/cbouy/bokehmol

Bokeh extensions to plot molecules easily
https://github.com/cbouy/bokehmol

bokeh cheminformatics interactive-visualizations jupyter rdkit

Last synced: 3 months ago
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Bokeh extensions to plot molecules easily

• Host: GitHub
• URL: https://github.com/cbouy/bokehmol
• Owner: cbouy
• License: apache-2.0
• Created: 2023-07-20T00:51:27.000Z (almost 2 years ago)
• Default Branch: master
• Last Pushed: 2024-03-21T12:56:56.000Z (about 1 year ago)
• Last Synced: 2025-02-01T10:51:14.746Z (3 months ago)
• Topics: bokeh, cheminformatics, interactive-visualizations, jupyter, rdkit
• Language: HTML
• Homepage:
• Size: 153 KB
• Stars: 9
• Watchers: 1
• Forks: 1
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • Changelog: CHANGELOG.md
  • License: LICENSE

Awesome Lists containing this project

README

        
# bokehmol, gotta plot them mol! ⌬

[![Powered by RDKit.js](https://img.shields.io/badge/Powered%20by-RDKit.js-3838ff.svg?logo=data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAABAAAAAQBAMAAADt3eJSAAAABGdBTUEAALGPC/xhBQAAACBjSFJNAAB6JgAAgIQAAPoAAACA6AAAdTAAAOpgAAA6mAAAF3CculE8AAAAFVBMVEXc3NwUFP8UPP9kZP+MjP+0tP////9ZXZotAAAAAXRSTlMAQObYZgAAAAFiS0dEBmFmuH0AAAAHdElNRQfmAwsPGi+MyC9RAAAAQElEQVQI12NgQABGQUEBMENISUkRLKBsbGwEEhIyBgJFsICLC0iIUdnExcUZwnANQWfApKCK4doRBsKtQFgKAQC5Ww1JEHSEkAAAACV0RVh0ZGF0ZTpjcmVhdGUAMjAyMi0wMy0xMVQxNToyNjo0NyswMDowMDzr2J4AAAAldEVYdGRhdGU6bW9kaWZ5ADIwMjItMDMtMTFUMTU6MjY6NDcrMDA6MDBNtmAiAAAAAElFTkSuQmCC)](https://www.rdkit.org/)

**bokehmol** provides custom extensions that help plotting molecules with the

[Bokeh](https://docs.bokeh.org/) library.

It currently provides hover tools that can depict molecules **on-the-fly** using SMILES: no need to

pre-generate the depictions and store them in memory anymore! Everything is rendered client-side in

the browser so you don't even need to install rdkit in your Python environment.



## [Installation](https://pypi.org/project/bokehmol/)

Bokehmol only requires bokeh as a dependency. You can install it with:

```

pip install bokehmol

```

## [Notebooks](https://github.com/cbouy/bokehmol/tree/master/notebooks)

Some examples on how to use the library [here](https://rawcdn.githack.com/cbouy/bokehmol/9ee061268dee125268489041586dac5e757fa6a3/notebooks/quickstart.html)

## [Discussions](https://github.com/cbouy/bokehmol/discussions)

Feature requests or questions on how to use should be posted [here](https://github.com/cbouy/bokehmol/discussions)

## [Issues](https://github.com/cbouy/bokehmol/issues)

Bug [tracker](https://github.com/cbouy/bokehmol/issues) 🐞